(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C12H14N2O5S — CID 61144159

IUPAC(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O5S/c1-7(13-10(15)9-3-2-4-19-9)11(16)14-6-20-5-8(14)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-/m0/s1
InChIKeySMQSZAXOTNSMSN-MQWKRIRWSA-N
MW298.32 g/mol
LogP0.38
Rot. Bonds4

About (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144159) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144159
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)c1ccco1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O5S/c1-7(13-10(15)9-3-2-4-19-9)11(16)14-6-20-5-8(14)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-/m0/s1
InChIKeySMQSZAXOTNSMSN-MQWKRIRWSA-N
XLogP0.38
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
1-[2-(furan-2-carbonylamino)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119401
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
CID 94443674
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
3-[furan-2-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198091
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-(2-amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104984151
(4R)-3-(3-amino-2-methyl-3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80552142

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144159) is (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CC(NC(=O)c1ccco1)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SMQSZAXOTNSMSN-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-7(13-10(15)9-3-2-4-19-9)11(16)14-6-20-5-8(14)12(17)18/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(furan-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).